N-[5-chloro-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-3-methylbutanamide

C19H20ClN3O3S — CID 53009019

IUPACN-[5-chloro-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-3-methylbutanamide
SMILESCc1cn2c(=O)cc(COc3ccc(Cl)cc3NC(=O)CC(C)C)nc2s1
InChIInChI=1S/C19H20ClN3O3S/c1-11(2)6-17(24)22-15-7-13(20)4-5-16(15)26-10-14-8-18(25)23-9-12(3)27-19(23)21-14/h4-5,7-9,11H,6,10H2,1-3H3,(H,22,24)
InChIKeyLDZSEYBIWOAGDY-UHFFFAOYSA-N
MW405.91 g/mol
LogP4.28
Rot. Bonds6

About N-[5-chloro-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-3-methylbutanamide

N-[5-chloro-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-3-methylbutanamide (PubChem CID 53009019) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is N-[5-chloro-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-3-methylbutanamide
PubChem CID53009019
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC NameN-[5-chloro-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-3-methylbutanamide
SMILESCc1cn2c(=O)cc(COc3ccc(Cl)cc3NC(=O)CC(C)C)nc2s1
InChIInChI=1S/C19H20ClN3O3S/c1-11(2)6-17(24)22-15-7-13(20)4-5-16(15)26-10-14-8-18(25)23-9-12(3)27-19(23)21-14/h4-5,7-9,11H,6,10H2,1-3H3,(H,22,24)
InChIKeyLDZSEYBIWOAGDY-UHFFFAOYSA-N
XLogP4.28
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide
CID 53092411
4-fluoro-N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
CID 53092391
2-chloro-N-[4-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
CID 53092430
3-methoxy-N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
CID 53092418
N-[4-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
CID 53092425
N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-1,3-benzodioxole-5-carboxamide
CID 53092420
N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(3-methylphenoxy)acetamide
CID 53092245
2-methyl-N-[4-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
CID 53092436
N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 51695102
N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(2-methylphenoxy)acetamide
CID 50806051
N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]propanamide
CID 46336458
(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-phenoxypropanoate
CID 51436225

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-3-methylbutanamide?
The IUPAC name of N-[5-chloro-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-3-methylbutanamide (CID 53009019) is N-[5-chloro-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[5-chloro-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[5-chloro-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-3-methylbutanamide is Cc1cn2c(=O)cc(COc3ccc(Cl)cc3NC(=O)CC(C)C)nc2s1.
What is the InChIKey of N-[5-chloro-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-3-methylbutanamide?
The InChIKey is LDZSEYBIWOAGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c1-11(2)6-17(24)22-15-7-13(20)4-5-16(15)26-10-14-8-18(25)23-9-12(3)27-19(23)21-14/h4-5,7-9,11H,6,10H2,1-3H3,(H,22,24).
What are the key properties of N-[5-chloro-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-3-methylbutanamide?
N-[5-chloro-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-3-methylbutanamide has a molecular weight of 405.91 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-3-methylbutanamide is sourced from PubChem (CID 53009019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).